626250-32-6

Basic information

• Product Name: 1-(2-bromoethoxy)-3-iodobenzene
• Synonyms: 1-(2-bromoethoxy)-3-iodobenzene
• CAS NO: 626250-32-6
• Molecular Weight: 326.959
• Mol File: 626250-32-6.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 1-(2-bromoethoxy)-3-iodobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-bromoethoxy)-3-iodobenzene(626250-32-6)
• EPA Substance Registry System: 1-(2-bromoethoxy)-3-iodobenzene(626250-32-6)

Safety Data

• Hazardous Substances Data: 626250-32-6(Hazardous Substances Data)

Upstream product

• 591-27-5 m-Hydroxyaniline 
• 626-02-8 3-Iodophenol 
• 106-93-4 ethylene dibromide 

Downstream Products

• 1448715-63-6 2-(4-(2-bromoethoxy)-2-iodophenyl)-2-methyl-1,3-dioxolane 
• 196597-81-6 (S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)-ethylamine 
• 196597-26-9 ramelteon 
• 1448715-61-4 1-(4-(2-bromoethoxy)-2-iodophenyl)ethanone 
• 1638140-26-7 5-(3,4-dichlorobenzyl)-4-(1-phenylvinyl)-2,3-dihydrobenzofuran 
• 1638140-28-9 5-butyl-4-(1-phenylvinyl)-2,3-dihydrobenzofuran 
• 626250-33-7 1-iodo-3-(2-iodoethoxy)benzene 

Relevant articles and documents

Amino Acid Hot Spots of Halogen Bonding: A Combined Theoretical and Experimental Case Study of the 5-HT7 Receptor

A computational approach combining a structure-activity relationship library of halogenated and the corresponding unsubstituted ligands (called XSAR) with QM-based molecular docking and binding free energy calculations was used to search for amino acids frequently targeted by halogen bonding (hot spots) in a 5-HT7R as a case study. The procedure identified two sets of hot spots, extracellular (D2.65, T2.64, and E7.35) and transmembrane (C3.36, T5.39, and S5.42), which were further verified by a synthesized library of halogenated arylsulfonamide derivatives of (aryloxy)ethylpiperidines. It was found that a halogen bond formed between T5.39 and a bromine atom at 3-position of the aryloxy fragment caused the most remarkable, 35-fold increase in binding affinity for 5-HT7R when compared to the nonhalogenated analog. The proposed paradigm of halogen bonding hot spots was additionally verified on D4 dopamine receptor showing that it can be used in rational drug design/optimization for any protein target.

A process for the preparation of key intermediate lei meiti amine, its preparation and use

The invention discloses critical intermediates (with the structure formula (I) ) used for preparing ramelteon. In the formula (I), A is O or S; R is hydrogen, methyl, ethyl, n-propyl, isopropyl, cyclopropyl, n-butyl, isobutyl, tert-butyl, cyclobutyl, n-pentyl, isopentyl, cyclopentyl, phenyl, benzyl or p-methoxybenzyl; and when chiral carbon exists, the chemical compounds in the formula (I) are racemate or optically active compounds. When the A in the formula (I) is O and the R in the formula (I) is ethyl, the chemical compound is the chemical compound shown as the structure formula (II). In addition, the invention further discloses a preparing method of the chemical compound shown as the formula (II) and applications of the formula (II) in preparation of the ramelteon used for treating insomnia.

Palladium-Catalyzed Sequential Alkylation-Alkenylation Reactions: New Three-Component Coupling Leading to Oxacycles

(Equation Presented) A new three-component domino reaction catalyzed by palladium was devised, producing polysubstituted bicyclic molecules in good yields from readily available substrates. The reaction conditions and the scope of the process were examine